Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1467378 | 0.72 | CYP3A4 (0.46) | CYP3A4TSHRALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL4050696 | 0.70 | TP53 (0.33) | ALOX5APFEN1 | |
| SCHEMBL336664 | 0.69 | CYP4F2 (0.49) | CYP3A4TSHRALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL4050421 | 0.68 | CYP19A1 (0.40) | CYP3A4TSHRALDH1A1MAPTHPGD | |
| SCHEMBL23580858 | 0.68 | NPC1 (0.41) | CYP4F2CYP4A11HPGDALOX5APFEN1 | |
| SCHEMBL6042263 | 0.68 | PDE10A (0.35) | TSHRALDH1A1MAPTHPGDALOX5AP | |
| SCHEMBL5432902 | 0.67 | BCHE (0.38) | TSHRALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL6581703 | 0.67 | CA5A (0.52) | CYP3A4TSHRALDH1A1 | |
| SCHEMBL7083354 | 0.66 | KDM4E (0.52) | ALDH1A1HPGD | |
| SCHEMBL8950532 | 0.66 | DRD2 (0.47) | CYP3A4ALDH1A1MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153641-A | Pharmaceutically active compounds | ASTRA AKTIEBOLAG (SE) | 2000-11-28 | — | — | US | disclosed |
| EP-0925296-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | Astra Aktiebolag (SE) | 1999-06-30 | — | — | EP | disclosed |
| WO-1998011102-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 1998-03-19 | — | — | WO | disclosed |